5YSH
Diol dehydratase - alpha/T172A mutant complexed with AdoCbl, aerobically-prepared crystal
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-10-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 |
Unit cell lengths | 70.330, 110.490, 115.480 |
Unit cell angles | 92.69, 95.97, 105.44 |
Refinement procedure
Resolution | 49.000 - 1.900 |
R-factor | 0.1637 |
Rwork | 0.164 |
R-free | 0.19140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iwb |
RMSD bond length | 0.007 |
RMSD bond angle | 1.085 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.107 | 0.882 |
Rmeas | 0.116 | 0.963 |
Number of reflections | 260267 | 18289 |
<I/σ(I)> | 11 | 2.38 |
Completeness [%] | 98.7 | 93.8 |
Redundancy | 6.3 | 6.2 |
CC(1/2) | 0.721 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 293 | 10.7% (w/v) PEG 3000, 8.6% (w/v) PEG 2000 MME, 50mM Tris pH 7.6 |